N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine

C10F23N — CID 88604470

IUPACN,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine
SMILESFN(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F23N/c11-1(6(18,19)20,3(13,14)2(12,7(21,22)23)8(24,25)26)5(17,34(33)10(30,31)32)4(15,16)9(27,28)29
InChIKeyUKVSJQYNGFSVPJ-UHFFFAOYSA-N
MW571.07 g/mol
LogP7.29
Rot. Bonds5

About N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine

N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine (PubChem CID 88604470) has the molecular formula C10F23N and a molecular weight of 571.07 g/mol. Its IUPAC name is N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine.

Molecular Properties

Compound NameN,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine
PubChem CID88604470
Molecular FormulaC10F23N
Molecular Weight571.07 g/mol
Exact Mass570.97
IUPAC NameN,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine
SMILESFN(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F23N/c11-1(6(18,19)20,3(13,14)2(12,7(21,22)23)8(24,25)26)5(17,34(33)10(30,31)32)4(15,16)9(27,28)29
InChIKeyUKVSJQYNGFSVPJ-UHFFFAOYSA-N
XLogP7.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.07
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine?
The IUPAC name of N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine (CID 88604470) is N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine.
What is the SMILES notation for N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine?
The canonical SMILES for N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine is FN(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine?
The InChIKey is UKVSJQYNGFSVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F23N/c11-1(6(18,19)20,3(13,14)2(12,7(21,22)23)8(24,25)26)5(17,34(33)10(30,31)32)4(15,16)9(27,28)29.
What are the key properties of N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine?
N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine has a molecular weight of 571.07 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,1,2,2,3,4,5,5,6,7,7,7-tetradecafluoro-N,4,6-tris(trifluoromethyl)heptan-3-amine is sourced from PubChem (CID 88604470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).